1-[[2,5-dimethyl-1-[4-(4-nitrophenyl)phenyl]pyrrol-3-yl]methylideneamino]thiourea

Systemtic Name: 1-[[2,5-dimethyl-1-[4-(4-nitrophenyl)phenyl]pyrrol-3-yl]methylideneamino]thiourea Openeye Name: [[2,5-dimethyl-1-[4-(4-nitrophenyl)phenyl]pyrrol-3-yl]methyleneamino]thiourea CAS Name: [[2,5-dimethyl-1-[4-(4-nitrophenyl)phenyl]-3-pyrrolyl]methylideneamino]thiourea IUPAC Name: [[2,5-dimethyl-1-[4-(4-nitrophenyl)phenyl]pyrrol-3-yl]methylideneamino]thiourea Traditional Name: [[2,5-dimethyl-1-[4-(4-nitrophenyl)phenyl]pyrrol-3-yl]methyleneamino]thiourea Formula: C20H19N5O2S MolecularWeight: 393.46216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])C)C=NNC(=S)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])C)C=NNC(=S)N

InChI

InChI=1S/C20H19N5O2S/c1-13-11-17(12-22-23-20(21)28)14(2)24(13)18-7-3-15(4-8-18)16-5-9-19(10-6-16)25(26)27/h3-12H,1-2H3,(H3,21,23,28)